1WAB

X-RAY DIFFRACTION

Crystal Properties
Matthews coefficient	Solvent content
2.67	48.5

Symmetry
Space Group	P 31 2 1

Diffraction Experiment
ID #	Crystal ID	Scattering Type	Data Collection Temperature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1	1	x-ray			MARRESEARCH		1995-11-25	M

Radiation Source
ID #	Source	Type	Wavelength List	Synchrotron Site	Beamline
1	SYNCHROTRON	EMBL/DESY, HAMBURG BEAMLINE BW7B		EMBL/DESY, HAMBURG	BW7B

Statistics
Diffraction ID	Structure Solution Method	Resolution (High)	Resolution (Low)	Number Reflections (Observed)	Number Reflections (R-Free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic B
X-RAY DIFFRACTION		1.7	8.5	30578			0.1954		23.1

Temperature Factor Modeling
Anisotropic B[1][1]	Anisotropic B[1][2]	Anisotropic B[1][3]	Anisotropic B[2][2]	Anisotropic B[2][3]	Anisotropic B[3][3]

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	36.3
p_staggered_tor	16.7
p_scangle_it	5.973
p_planar_tor	5.7
p_scbond_it	4.372
p_mcangle_it	2.85
p_mcbond_it	2.108
p_multtor_nbd	0.256
p_singtor_nbd	0.178
p_xyhbond_nbd	0.171

RMS Deviations
Key	Refinement Restraint Deviation
p_transverse_tor	36.3
p_staggered_tor	16.7
p_scangle_it	5.973
p_planar_tor	5.7
p_scbond_it	4.372
p_mcangle_it	2.85
p_mcbond_it	2.108
p_multtor_nbd	0.256
p_singtor_nbd	0.178
p_xyhbond_nbd	0.171
p_plane_restr	0.05
p_planar_d	0.047
p_bond_d	0.015
p_angle_d
p_angle_deg
p_hb_or_metal_coord
p_chiral_restr
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor